USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 415 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 TYR OH : rot 77:sc= 0.782 USER MOD Set 1.2: A 47 ASN : amide:sc= -2.97! C(o=-2.2!,f=-5.4!) USER MOD Single : A 6 SER OG : rot -51:sc= 1.13 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.787 USER MOD Single : A 20 ASN : amide:sc= -0.096 K(o=-0.096,f=-1.9!) USER MOD Single : A 22 ASN : amide:sc=-0.00737 K(o=-0.0074,f=-0.59) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.2) USER MOD Single : A 28 SER OG : rot -4:sc= 0.889 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.0431 K(o=0.043,f=-0.94) USER MOD Single : A 46 ASN : amide:sc= -3.19 X(o=-3.2,f=-3.1!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.3) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N SER A 6 47.625 8.871 9.290 1.00 0.00 N ATOM 77 CA SER A 6 48.933 8.338 8.808 1.00 0.00 C ATOM 78 C SER A 6 48.757 6.941 8.212 1.00 0.00 C ATOM 79 O SER A 6 49.591 6.074 8.400 1.00 0.00 O ATOM 80 CB SER A 6 49.812 8.274 10.056 1.00 0.00 C ATOM 81 OG SER A 6 51.086 7.743 9.707 1.00 0.00 O ATOM 0 HA SER A 6 49.367 8.962 8.026 1.00 0.00 H new ATOM 0 HB2 SER A 6 49.925 9.269 10.486 1.00 0.00 H new ATOM 0 HB3 SER A 6 49.341 7.650 10.815 1.00 0.00 H new ATOM 0 HG SER A 6 50.967 6.903 9.216 1.00 0.00 H new ATOM 87 N TRP A 7 47.682 6.710 7.498 1.00 0.00 N ATOM 88 CA TRP A 7 47.466 5.359 6.898 1.00 0.00 C ATOM 89 C TRP A 7 46.616 5.443 5.633 1.00 0.00 C ATOM 90 O TRP A 7 45.945 4.496 5.279 1.00 0.00 O ATOM 91 CB TRP A 7 46.746 4.533 7.971 1.00 0.00 C ATOM 92 CG TRP A 7 45.478 5.211 8.394 1.00 0.00 C ATOM 93 CD1 TRP A 7 45.389 6.138 9.373 1.00 0.00 C ATOM 94 CD2 TRP A 7 44.124 5.026 7.879 1.00 0.00 C ATOM 95 NE1 TRP A 7 44.069 6.536 9.493 1.00 0.00 N ATOM 96 CE2 TRP A 7 43.252 5.881 8.594 1.00 0.00 C ATOM 97 CE3 TRP A 7 43.574 4.210 6.873 1.00 0.00 C ATOM 98 CZ2 TRP A 7 41.885 5.926 8.322 1.00 0.00 C ATOM 99 CZ3 TRP A 7 42.198 4.253 6.597 1.00 0.00 C ATOM 100 CH2 TRP A 7 41.356 5.109 7.320 1.00 0.00 C ATOM 0 H TRP A 7 46.950 7.394 7.306 1.00 0.00 H new ATOM 0 HA TRP A 7 48.414 4.907 6.605 1.00 0.00 H new ATOM 0 HB2 TRP A 7 46.522 3.539 7.583 1.00 0.00 H new ATOM 0 HB3 TRP A 7 47.399 4.399 8.834 1.00 0.00 H new ATOM 0 HD1 TRP A 7 46.213 6.508 9.965 1.00 0.00 H new ATOM 0 HE1 TRP A 7 43.740 7.230 10.165 1.00 0.00 H new ATOM 0 HE3 TRP A 7 44.214 3.547 6.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 41.240 6.587 8.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 41.786 3.623 5.823 1.00 0.00 H new ATOM 0 HH2 TRP A 7 40.298 5.137 7.102 1.00 0.00 H new ATOM 111 N CYS A 8 46.652 6.549 4.936 1.00 0.00 N ATOM 112 CA CYS A 8 45.858 6.654 3.676 1.00 0.00 C ATOM 113 C CYS A 8 46.811 6.688 2.478 1.00 0.00 C ATOM 114 O CYS A 8 46.489 6.211 1.407 1.00 0.00 O ATOM 115 CB CYS A 8 45.058 7.959 3.787 1.00 0.00 C ATOM 116 SG CYS A 8 44.112 8.273 2.261 1.00 0.00 S ATOM 0 H CYS A 8 47.193 7.378 5.182 1.00 0.00 H new ATOM 0 HA CYS A 8 45.189 5.806 3.534 1.00 0.00 H new ATOM 0 HB2 CYS A 8 44.377 7.902 4.636 1.00 0.00 H new ATOM 0 HB3 CYS A 8 45.736 8.791 3.977 1.00 0.00 H new ATOM 121 N LEU A 9 47.984 7.237 2.661 1.00 0.00 N ATOM 122 CA LEU A 9 48.972 7.290 1.542 1.00 0.00 C ATOM 123 C LEU A 9 50.295 6.638 1.971 1.00 0.00 C ATOM 124 O LEU A 9 51.317 6.823 1.337 1.00 0.00 O ATOM 125 CB LEU A 9 49.160 8.783 1.231 1.00 0.00 C ATOM 126 CG LEU A 9 49.775 9.510 2.441 1.00 0.00 C ATOM 127 CD1 LEU A 9 51.250 9.820 2.168 1.00 0.00 C ATOM 128 CD2 LEU A 9 49.020 10.818 2.698 1.00 0.00 C ATOM 0 H LEU A 9 48.301 7.651 3.538 1.00 0.00 H new ATOM 0 HA LEU A 9 48.629 6.745 0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 9 49.806 8.901 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 9 48.199 9.232 0.978 1.00 0.00 H new ATOM 0 HG LEU A 9 49.697 8.867 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 9 51.679 10.334 3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 9 51.791 8.890 1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 9 51.331 10.457 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 9 49.459 11.329 3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 9 49.091 11.458 1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 9 47.972 10.599 2.903 1.00 0.00 H new ATOM 140 N THR A 10 50.280 5.876 3.042 1.00 0.00 N ATOM 141 CA THR A 10 51.533 5.213 3.511 1.00 0.00 C ATOM 142 C THR A 10 52.042 4.234 2.432 1.00 0.00 C ATOM 143 O THR A 10 51.243 3.675 1.709 1.00 0.00 O ATOM 144 CB THR A 10 51.140 4.459 4.790 1.00 0.00 C ATOM 145 OG1 THR A 10 52.274 3.764 5.290 1.00 0.00 O ATOM 146 CG2 THR A 10 50.020 3.456 4.489 1.00 0.00 C ATOM 0 H THR A 10 49.453 5.687 3.608 1.00 0.00 H new ATOM 0 HA THR A 10 52.335 5.927 3.700 1.00 0.00 H new ATOM 0 HB THR A 10 50.785 5.174 5.532 1.00 0.00 H new ATOM 0 HG1 THR A 10 52.028 3.283 6.107 1.00 0.00 H new ATOM 0 HG21 THR A 10 49.750 2.927 5.403 1.00 0.00 H new ATOM 0 HG22 THR A 10 49.149 3.988 4.106 1.00 0.00 H new ATOM 0 HG23 THR A 10 50.364 2.739 3.744 1.00 0.00 H new ATOM 154 N PRO A 11 53.353 4.049 2.335 1.00 0.00 N ATOM 155 CA PRO A 11 53.902 3.128 1.309 1.00 0.00 C ATOM 156 C PRO A 11 53.366 1.708 1.509 1.00 0.00 C ATOM 157 O PRO A 11 52.803 1.386 2.538 1.00 0.00 O ATOM 158 CB PRO A 11 55.414 3.192 1.560 1.00 0.00 C ATOM 159 CG PRO A 11 55.682 4.159 2.727 1.00 0.00 C ATOM 160 CD PRO A 11 54.343 4.724 3.220 1.00 0.00 C ATOM 0 HA PRO A 11 53.628 3.402 0.290 1.00 0.00 H new ATOM 0 HB2 PRO A 11 55.800 2.200 1.795 1.00 0.00 H new ATOM 0 HB3 PRO A 11 55.932 3.531 0.663 1.00 0.00 H new ATOM 0 HG2 PRO A 11 56.194 3.640 3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 11 56.337 4.968 2.404 1.00 0.00 H new ATOM 0 HD2 PRO A 11 54.169 4.493 4.271 1.00 0.00 H new ATOM 0 HD3 PRO A 11 54.301 5.809 3.121 1.00 0.00 H new ATOM 168 N ALA A 12 53.542 0.862 0.527 1.00 0.00 N ATOM 169 CA ALA A 12 53.048 -0.544 0.642 1.00 0.00 C ATOM 170 C ALA A 12 53.900 -1.320 1.651 1.00 0.00 C ATOM 171 O ALA A 12 54.980 -1.784 1.335 1.00 0.00 O ATOM 172 CB ALA A 12 53.188 -1.143 -0.764 1.00 0.00 C ATOM 0 H ALA A 12 54.008 1.085 -0.353 1.00 0.00 H new ATOM 0 HA ALA A 12 52.018 -0.590 0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.843 -2.177 -0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 12 52.587 -0.566 -1.467 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.234 -1.112 -1.070 1.00 0.00 H new ATOM 178 N ASP A 13 53.419 -1.463 2.860 1.00 0.00 N ATOM 179 CA ASP A 13 54.193 -2.212 3.897 1.00 0.00 C ATOM 180 C ASP A 13 54.103 -3.717 3.635 1.00 0.00 C ATOM 181 O ASP A 13 53.026 -4.281 3.586 1.00 0.00 O ATOM 182 CB ASP A 13 53.520 -1.866 5.226 1.00 0.00 C ATOM 183 CG ASP A 13 54.583 -1.762 6.322 1.00 0.00 C ATOM 184 OD1 ASP A 13 55.237 -2.759 6.580 1.00 0.00 O ATOM 185 OD2 ASP A 13 54.723 -0.689 6.883 1.00 0.00 O ATOM 0 H ASP A 13 52.522 -1.093 3.174 1.00 0.00 H new ATOM 0 HA ASP A 13 55.250 -1.946 3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 13 52.979 -0.924 5.138 1.00 0.00 H new ATOM 0 HB3 ASP A 13 52.788 -2.631 5.485 1.00 0.00 H new ATOM 190 N ARG A 14 55.225 -4.368 3.467 1.00 0.00 N ATOM 191 CA ARG A 14 55.210 -5.842 3.204 1.00 0.00 C ATOM 192 C ARG A 14 54.695 -6.601 4.437 1.00 0.00 C ATOM 193 O ARG A 14 53.591 -7.113 4.440 1.00 0.00 O ATOM 194 CB ARG A 14 56.668 -6.217 2.898 1.00 0.00 C ATOM 195 CG ARG A 14 56.744 -6.959 1.559 1.00 0.00 C ATOM 196 CD ARG A 14 56.660 -8.468 1.807 1.00 0.00 C ATOM 197 NE ARG A 14 56.832 -9.090 0.464 1.00 0.00 N ATOM 198 CZ ARG A 14 58.004 -9.522 0.090 1.00 0.00 C ATOM 199 NH1 ARG A 14 58.742 -10.211 0.917 1.00 0.00 N ATOM 200 NH2 ARG A 14 58.442 -9.262 -1.112 1.00 0.00 N ATOM 0 H ARG A 14 56.152 -3.944 3.500 1.00 0.00 H new ATOM 0 HA ARG A 14 54.548 -6.103 2.378 1.00 0.00 H new ATOM 0 HB2 ARG A 14 57.284 -5.319 2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 14 57.066 -6.845 3.695 1.00 0.00 H new ATOM 0 HG2 ARG A 14 55.930 -6.641 0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 14 57.675 -6.715 1.048 1.00 0.00 H new ATOM 0 HD2 ARG A 14 57.436 -8.798 2.497 1.00 0.00 H new ATOM 0 HD3 ARG A 14 55.702 -8.743 2.249 1.00 0.00 H new ATOM 0 HE ARG A 14 56.032 -9.178 -0.163 1.00 0.00 H new ATOM 0 HH11 ARG A 14 58.402 -10.412 1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 14 59.659 -10.548 0.623 1.00 0.00 H new ATOM 0 HH21 ARG A 14 57.867 -8.721 -1.758 1.00 0.00 H new ATOM 0 HH22 ARG A 14 59.359 -9.600 -1.405 1.00 0.00 H new ATOM 214 N GLY A 15 55.487 -6.677 5.480 1.00 0.00 N ATOM 215 CA GLY A 15 55.050 -7.404 6.713 1.00 0.00 C ATOM 216 C GLY A 15 56.108 -8.451 7.086 1.00 0.00 C ATOM 217 O GLY A 15 57.195 -8.455 6.536 1.00 0.00 O ATOM 0 H GLY A 15 56.419 -6.266 5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 15 54.912 -6.701 7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 15 54.088 -7.887 6.543 1.00 0.00 H new ATOM 221 N LEU A 16 55.816 -9.326 8.026 1.00 0.00 N ATOM 222 CA LEU A 16 56.838 -10.346 8.435 1.00 0.00 C ATOM 223 C LEU A 16 56.198 -11.617 9.037 1.00 0.00 C ATOM 224 O LEU A 16 56.431 -11.946 10.189 1.00 0.00 O ATOM 225 CB LEU A 16 57.680 -9.637 9.505 1.00 0.00 C ATOM 226 CG LEU A 16 58.841 -8.867 8.855 1.00 0.00 C ATOM 227 CD1 LEU A 16 58.556 -7.360 8.900 1.00 0.00 C ATOM 228 CD2 LEU A 16 60.140 -9.153 9.623 1.00 0.00 C ATOM 0 H LEU A 16 54.926 -9.377 8.521 1.00 0.00 H new ATOM 0 HA LEU A 16 57.416 -10.683 7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 16 57.053 -8.950 10.073 1.00 0.00 H new ATOM 0 HB3 LEU A 16 58.072 -10.369 10.212 1.00 0.00 H new ATOM 0 HG LEU A 16 58.945 -9.188 7.819 1.00 0.00 H new ATOM 0 HD11 LEU A 16 59.382 -6.820 8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 16 57.635 -7.148 8.357 1.00 0.00 H new ATOM 0 HD13 LEU A 16 58.448 -7.041 9.937 1.00 0.00 H new ATOM 0 HD21 LEU A 16 60.963 -8.607 9.162 1.00 0.00 H new ATOM 0 HD22 LEU A 16 60.028 -8.834 10.659 1.00 0.00 H new ATOM 0 HD23 LEU A 16 60.352 -10.222 9.594 1.00 0.00 H new ATOM 240 N CYS A 17 55.423 -12.351 8.273 1.00 0.00 N ATOM 241 CA CYS A 17 54.811 -13.612 8.816 1.00 0.00 C ATOM 242 C CYS A 17 54.672 -14.656 7.702 1.00 0.00 C ATOM 243 O CYS A 17 53.806 -15.505 7.742 1.00 0.00 O ATOM 244 CB CYS A 17 53.429 -13.210 9.353 1.00 0.00 C ATOM 245 SG CYS A 17 53.381 -13.396 11.158 1.00 0.00 S ATOM 0 H CYS A 17 55.188 -12.136 7.304 1.00 0.00 H new ATOM 0 HA CYS A 17 55.428 -14.056 9.597 1.00 0.00 H new ATOM 0 HB2 CYS A 17 53.211 -12.177 9.080 1.00 0.00 H new ATOM 0 HB3 CYS A 17 52.658 -13.830 8.895 1.00 0.00 H new ATOM 250 N ARG A 18 55.529 -14.593 6.713 1.00 0.00 N ATOM 251 CA ARG A 18 55.483 -15.573 5.575 1.00 0.00 C ATOM 252 C ARG A 18 54.052 -15.781 5.051 1.00 0.00 C ATOM 253 O ARG A 18 53.413 -16.774 5.344 1.00 0.00 O ATOM 254 CB ARG A 18 56.040 -16.883 6.141 1.00 0.00 C ATOM 255 CG ARG A 18 57.546 -16.736 6.392 1.00 0.00 C ATOM 256 CD ARG A 18 58.333 -17.359 5.230 1.00 0.00 C ATOM 257 NE ARG A 18 59.321 -16.320 4.831 1.00 0.00 N ATOM 258 CZ ARG A 18 59.804 -16.306 3.619 1.00 0.00 C ATOM 259 NH1 ARG A 18 60.164 -17.421 3.045 1.00 0.00 N ATOM 260 NH2 ARG A 18 59.926 -15.175 2.983 1.00 0.00 N ATOM 0 H ARG A 18 56.270 -13.896 6.642 1.00 0.00 H new ATOM 0 HA ARG A 18 56.062 -15.208 4.726 1.00 0.00 H new ATOM 0 HB2 ARG A 18 55.529 -17.136 7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 18 55.855 -17.700 5.443 1.00 0.00 H new ATOM 0 HG2 ARG A 18 57.805 -15.682 6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 18 57.817 -17.223 7.329 1.00 0.00 H new ATOM 0 HD2 ARG A 18 58.830 -18.278 5.539 1.00 0.00 H new ATOM 0 HD3 ARG A 18 57.674 -17.616 4.401 1.00 0.00 H new ATOM 0 HE ARG A 18 59.621 -15.617 5.507 1.00 0.00 H new ATOM 0 HH11 ARG A 18 60.068 -18.306 3.544 1.00 0.00 H new ATOM 0 HH12 ARG A 18 60.541 -17.408 2.097 1.00 0.00 H new ATOM 0 HH21 ARG A 18 59.644 -14.304 3.433 1.00 0.00 H new ATOM 0 HH22 ARG A 18 60.303 -15.161 2.035 1.00 0.00 H new ATOM 274 N ALA A 19 53.561 -14.859 4.263 1.00 0.00 N ATOM 275 CA ALA A 19 52.186 -14.996 3.689 1.00 0.00 C ATOM 276 C ALA A 19 52.076 -14.154 2.419 1.00 0.00 C ATOM 277 O ALA A 19 52.129 -12.939 2.461 1.00 0.00 O ATOM 278 CB ALA A 19 51.231 -14.477 4.764 1.00 0.00 C ATOM 0 H ALA A 19 54.057 -14.010 3.990 1.00 0.00 H new ATOM 0 HA ALA A 19 51.953 -16.026 3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 19 50.204 -14.550 4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 19 51.342 -15.074 5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 19 51.464 -13.436 4.986 1.00 0.00 H new ATOM 284 N ASN A 20 51.935 -14.797 1.292 1.00 0.00 N ATOM 285 CA ASN A 20 51.836 -14.052 0.001 1.00 0.00 C ATOM 286 C ASN A 20 50.393 -13.617 -0.271 1.00 0.00 C ATOM 287 O ASN A 20 49.676 -14.255 -1.021 1.00 0.00 O ATOM 288 CB ASN A 20 52.302 -15.044 -1.068 1.00 0.00 C ATOM 289 CG ASN A 20 53.835 -15.074 -1.124 1.00 0.00 C ATOM 290 OD1 ASN A 20 54.502 -14.384 -0.377 1.00 0.00 O ATOM 291 ND2 ASN A 20 54.425 -15.852 -1.990 1.00 0.00 N ATOM 0 H ASN A 20 51.884 -15.812 1.208 1.00 0.00 H new ATOM 0 HA ASN A 20 52.438 -13.143 0.013 1.00 0.00 H new ATOM 0 HB2 ASN A 20 51.919 -16.039 -0.844 1.00 0.00 H new ATOM 0 HB3 ASN A 20 51.900 -14.759 -2.040 1.00 0.00 H new ATOM 0 HD21 ASN A 20 55.443 -15.880 -2.039 1.00 0.00 H new ATOM 0 HD22 ASN A 20 53.868 -16.432 -2.618 1.00 0.00 H new ATOM 298 N GLU A 21 49.967 -12.532 0.323 1.00 0.00 N ATOM 299 CA GLU A 21 48.576 -12.045 0.092 1.00 0.00 C ATOM 300 C GLU A 21 48.550 -11.071 -1.091 1.00 0.00 C ATOM 301 O GLU A 21 49.496 -10.978 -1.851 1.00 0.00 O ATOM 302 CB GLU A 21 48.184 -11.331 1.388 1.00 0.00 C ATOM 303 CG GLU A 21 47.335 -12.265 2.251 1.00 0.00 C ATOM 304 CD GLU A 21 47.575 -11.952 3.729 1.00 0.00 C ATOM 305 OE1 GLU A 21 48.725 -11.950 4.134 1.00 0.00 O ATOM 306 OE2 GLU A 21 46.603 -11.719 4.431 1.00 0.00 O ATOM 0 H GLU A 21 50.524 -11.962 0.959 1.00 0.00 H new ATOM 0 HA GLU A 21 47.887 -12.855 -0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 21 49.078 -11.028 1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 21 47.626 -10.423 1.160 1.00 0.00 H new ATOM 0 HG2 GLU A 21 46.279 -12.142 2.009 1.00 0.00 H new ATOM 0 HG3 GLU A 21 47.591 -13.304 2.042 1.00 0.00 H new ATOM 313 N ASN A 22 47.473 -10.344 -1.249 1.00 0.00 N ATOM 314 CA ASN A 22 47.372 -9.370 -2.376 1.00 0.00 C ATOM 315 C ASN A 22 46.500 -8.180 -1.960 1.00 0.00 C ATOM 316 O ASN A 22 45.357 -8.065 -2.365 1.00 0.00 O ATOM 317 CB ASN A 22 46.718 -10.150 -3.518 1.00 0.00 C ATOM 318 CG ASN A 22 47.354 -9.742 -4.849 1.00 0.00 C ATOM 319 OD1 ASN A 22 47.242 -8.607 -5.268 1.00 0.00 O ATOM 320 ND2 ASN A 22 48.024 -10.627 -5.537 1.00 0.00 N ATOM 0 H ASN A 22 46.655 -10.384 -0.641 1.00 0.00 H new ATOM 0 HA ASN A 22 48.342 -8.967 -2.668 1.00 0.00 H new ATOM 0 HB2 ASN A 22 46.841 -11.221 -3.358 1.00 0.00 H new ATOM 0 HB3 ASN A 22 45.646 -9.952 -3.540 1.00 0.00 H new ATOM 0 HD21 ASN A 22 48.452 -10.365 -6.425 1.00 0.00 H new ATOM 0 HD22 ASN A 22 48.119 -11.580 -5.187 1.00 0.00 H new ATOM 327 N ARG A 23 47.031 -7.300 -1.151 1.00 0.00 N ATOM 328 CA ARG A 23 46.241 -6.116 -0.698 1.00 0.00 C ATOM 329 C ARG A 23 46.420 -4.953 -1.677 1.00 0.00 C ATOM 330 O ARG A 23 47.400 -4.882 -2.394 1.00 0.00 O ATOM 331 CB ARG A 23 46.811 -5.760 0.676 1.00 0.00 C ATOM 332 CG ARG A 23 46.410 -6.835 1.688 1.00 0.00 C ATOM 333 CD ARG A 23 44.913 -6.725 1.990 1.00 0.00 C ATOM 334 NE ARG A 23 44.708 -7.549 3.214 1.00 0.00 N ATOM 335 CZ ARG A 23 43.532 -8.049 3.478 1.00 0.00 C ATOM 336 NH1 ARG A 23 42.865 -8.680 2.551 1.00 0.00 N ATOM 337 NH2 ARG A 23 43.024 -7.920 4.673 1.00 0.00 N ATOM 0 H ARG A 23 47.981 -7.351 -0.783 1.00 0.00 H new ATOM 0 HA ARG A 23 45.172 -6.326 -0.651 1.00 0.00 H new ATOM 0 HB2 ARG A 23 47.897 -5.683 0.622 1.00 0.00 H new ATOM 0 HB3 ARG A 23 46.438 -4.787 0.996 1.00 0.00 H new ATOM 0 HG2 ARG A 23 46.639 -7.824 1.292 1.00 0.00 H new ATOM 0 HG3 ARG A 23 46.986 -6.717 2.606 1.00 0.00 H new ATOM 0 HD2 ARG A 23 44.619 -5.689 2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 23 44.314 -7.096 1.159 1.00 0.00 H new ATOM 0 HE ARG A 23 45.489 -7.723 3.847 1.00 0.00 H new ATOM 0 HH11 ARG A 23 43.263 -8.783 1.617 1.00 0.00 H new ATOM 0 HH12 ARG A 23 41.946 -9.070 2.760 1.00 0.00 H new ATOM 0 HH21 ARG A 23 43.546 -7.429 5.399 1.00 0.00 H new ATOM 0 HH22 ARG A 23 42.105 -8.310 4.881 1.00 0.00 H new ATOM 351 N PHE A 24 45.476 -4.047 -1.713 1.00 0.00 N ATOM 352 CA PHE A 24 45.580 -2.886 -2.648 1.00 0.00 C ATOM 353 C PHE A 24 46.273 -1.702 -1.967 1.00 0.00 C ATOM 354 O PHE A 24 45.736 -1.089 -1.063 1.00 0.00 O ATOM 355 CB PHE A 24 44.137 -2.540 -3.009 1.00 0.00 C ATOM 356 CG PHE A 24 43.710 -3.378 -4.191 1.00 0.00 C ATOM 357 CD1 PHE A 24 43.938 -2.921 -5.495 1.00 0.00 C ATOM 358 CD2 PHE A 24 43.090 -4.616 -3.982 1.00 0.00 C ATOM 359 CE1 PHE A 24 43.548 -3.702 -6.589 1.00 0.00 C ATOM 360 CE2 PHE A 24 42.701 -5.397 -5.077 1.00 0.00 C ATOM 361 CZ PHE A 24 42.930 -4.941 -6.381 1.00 0.00 C ATOM 0 H PHE A 24 44.636 -4.061 -1.134 1.00 0.00 H new ATOM 0 HA PHE A 24 46.175 -3.122 -3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 24 43.481 -2.727 -2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 24 44.053 -1.480 -3.249 1.00 0.00 H new ATOM 0 HD1 PHE A 24 44.415 -1.966 -5.656 1.00 0.00 H new ATOM 0 HD2 PHE A 24 42.912 -4.968 -2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 24 43.724 -3.349 -7.594 1.00 0.00 H new ATOM 0 HE2 PHE A 24 42.224 -6.352 -4.916 1.00 0.00 H new ATOM 0 HZ PHE A 24 42.630 -5.544 -7.225 1.00 0.00 H new ATOM 371 N TYR A 25 47.461 -1.374 -2.407 1.00 0.00 N ATOM 372 CA TYR A 25 48.208 -0.228 -1.808 1.00 0.00 C ATOM 373 C TYR A 25 47.847 1.065 -2.563 1.00 0.00 C ATOM 374 O TYR A 25 48.112 1.197 -3.743 1.00 0.00 O ATOM 375 CB TYR A 25 49.696 -0.626 -1.969 1.00 0.00 C ATOM 376 CG TYR A 25 50.607 0.583 -2.082 1.00 0.00 C ATOM 377 CD1 TYR A 25 50.551 1.601 -1.124 1.00 0.00 C ATOM 378 CD2 TYR A 25 51.508 0.677 -3.150 1.00 0.00 C ATOM 379 CE1 TYR A 25 51.394 2.713 -1.236 1.00 0.00 C ATOM 380 CE2 TYR A 25 52.351 1.787 -3.260 1.00 0.00 C ATOM 381 CZ TYR A 25 52.294 2.806 -2.304 1.00 0.00 C ATOM 382 OH TYR A 25 53.126 3.902 -2.412 1.00 0.00 O ATOM 0 H TYR A 25 47.949 -1.856 -3.162 1.00 0.00 H new ATOM 0 HA TYR A 25 47.970 -0.034 -0.762 1.00 0.00 H new ATOM 0 HB2 TYR A 25 50.002 -1.230 -1.115 1.00 0.00 H new ATOM 0 HB3 TYR A 25 49.809 -1.248 -2.857 1.00 0.00 H new ATOM 0 HD1 TYR A 25 49.858 1.529 -0.299 1.00 0.00 H new ATOM 0 HD2 TYR A 25 51.552 -0.109 -3.890 1.00 0.00 H new ATOM 0 HE1 TYR A 25 51.350 3.500 -0.498 1.00 0.00 H new ATOM 0 HE2 TYR A 25 53.046 1.857 -4.083 1.00 0.00 H new ATOM 0 HH TYR A 25 53.688 3.809 -3.209 1.00 0.00 H new ATOM 392 N TYR A 26 47.256 2.014 -1.882 1.00 0.00 N ATOM 393 CA TYR A 26 46.886 3.301 -2.547 1.00 0.00 C ATOM 394 C TYR A 26 48.156 4.048 -2.971 1.00 0.00 C ATOM 395 O TYR A 26 49.017 4.331 -2.158 1.00 0.00 O ATOM 396 CB TYR A 26 46.116 4.098 -1.488 1.00 0.00 C ATOM 397 CG TYR A 26 45.693 5.432 -2.060 1.00 0.00 C ATOM 398 CD1 TYR A 26 44.683 5.492 -3.028 1.00 0.00 C ATOM 399 CD2 TYR A 26 46.319 6.607 -1.628 1.00 0.00 C ATOM 400 CE1 TYR A 26 44.297 6.729 -3.561 1.00 0.00 C ATOM 401 CE2 TYR A 26 45.934 7.843 -2.161 1.00 0.00 C ATOM 402 CZ TYR A 26 44.923 7.904 -3.128 1.00 0.00 C ATOM 403 OH TYR A 26 44.544 9.122 -3.654 1.00 0.00 O ATOM 0 H TYR A 26 47.013 1.953 -0.893 1.00 0.00 H new ATOM 0 HA TYR A 26 46.287 3.148 -3.445 1.00 0.00 H new ATOM 0 HB2 TYR A 26 45.240 3.537 -1.163 1.00 0.00 H new ATOM 0 HB3 TYR A 26 46.741 4.251 -0.608 1.00 0.00 H new ATOM 0 HD1 TYR A 26 44.202 4.585 -3.364 1.00 0.00 H new ATOM 0 HD2 TYR A 26 47.100 6.560 -0.883 1.00 0.00 H new ATOM 0 HE1 TYR A 26 43.516 6.776 -4.306 1.00 0.00 H new ATOM 0 HE2 TYR A 26 46.417 8.749 -1.826 1.00 0.00 H new ATOM 0 HH TYR A 26 45.077 9.835 -3.245 1.00 0.00 H new ATOM 413 N ASN A 27 48.275 4.367 -4.234 1.00 0.00 N ATOM 414 CA ASN A 27 49.486 5.097 -4.715 1.00 0.00 C ATOM 415 C ASN A 27 49.276 6.608 -4.578 1.00 0.00 C ATOM 416 O ASN A 27 48.347 7.166 -5.130 1.00 0.00 O ATOM 417 CB ASN A 27 49.629 4.704 -6.188 1.00 0.00 C ATOM 418 CG ASN A 27 51.094 4.391 -6.502 1.00 0.00 C ATOM 419 OD1 ASN A 27 51.393 3.398 -7.136 1.00 0.00 O ATOM 420 ND2 ASN A 27 52.027 5.202 -6.081 1.00 0.00 N ATOM 0 H ASN A 27 47.585 4.153 -4.954 1.00 0.00 H new ATOM 0 HA ASN A 27 50.378 4.845 -4.141 1.00 0.00 H new ATOM 0 HB2 ASN A 27 49.008 3.835 -6.404 1.00 0.00 H new ATOM 0 HB3 ASN A 27 49.276 5.514 -6.826 1.00 0.00 H new ATOM 0 HD21 ASN A 27 53.006 5.002 -6.284 1.00 0.00 H new ATOM 0 HD22 ASN A 27 51.776 6.035 -5.549 1.00 0.00 H new ATOM 427 N SER A 28 50.135 7.270 -3.846 1.00 0.00 N ATOM 428 CA SER A 28 49.993 8.748 -3.667 1.00 0.00 C ATOM 429 C SER A 28 50.484 9.507 -4.909 1.00 0.00 C ATOM 430 O SER A 28 50.412 10.721 -4.962 1.00 0.00 O ATOM 431 CB SER A 28 50.864 9.087 -2.456 1.00 0.00 C ATOM 432 OG SER A 28 51.074 10.492 -2.408 1.00 0.00 O ATOM 0 H SER A 28 50.930 6.851 -3.364 1.00 0.00 H new ATOM 0 HA SER A 28 48.952 9.036 -3.522 1.00 0.00 H new ATOM 0 HB2 SER A 28 50.381 8.748 -1.540 1.00 0.00 H new ATOM 0 HB3 SER A 28 51.819 8.567 -2.524 1.00 0.00 H new ATOM 0 HG SER A 28 50.670 10.910 -3.197 1.00 0.00 H new ATOM 438 N VAL A 29 50.979 8.812 -5.909 1.00 0.00 N ATOM 439 CA VAL A 29 51.469 9.507 -7.139 1.00 0.00 C ATOM 440 C VAL A 29 50.453 9.332 -8.272 1.00 0.00 C ATOM 441 O VAL A 29 49.932 10.297 -8.801 1.00 0.00 O ATOM 442 CB VAL A 29 52.797 8.825 -7.485 1.00 0.00 C ATOM 443 CG1 VAL A 29 53.408 9.486 -8.723 1.00 0.00 C ATOM 444 CG2 VAL A 29 53.770 8.966 -6.309 1.00 0.00 C ATOM 0 H VAL A 29 51.063 7.796 -5.924 1.00 0.00 H new ATOM 0 HA VAL A 29 51.599 10.579 -6.989 1.00 0.00 H new ATOM 0 HB VAL A 29 52.615 7.769 -7.686 1.00 0.00 H new ATOM 0 HG11 VAL A 29 54.352 8.999 -8.967 1.00 0.00 H new ATOM 0 HG12 VAL A 29 52.721 9.388 -9.564 1.00 0.00 H new ATOM 0 HG13 VAL A 29 53.586 10.542 -8.521 1.00 0.00 H new ATOM 0 HG21 VAL A 29 54.714 8.480 -6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 29 53.948 10.023 -6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 29 53.342 8.496 -5.424 1.00 0.00 H new ATOM 454 N ILE A 30 50.167 8.108 -8.644 1.00 0.00 N ATOM 455 CA ILE A 30 49.181 7.872 -9.743 1.00 0.00 C ATOM 456 C ILE A 30 47.754 7.873 -9.178 1.00 0.00 C ATOM 457 O ILE A 30 46.812 8.244 -9.855 1.00 0.00 O ATOM 458 CB ILE A 30 49.543 6.507 -10.351 1.00 0.00 C ATOM 459 CG1 ILE A 30 49.428 5.400 -9.297 1.00 0.00 C ATOM 460 CG2 ILE A 30 50.979 6.552 -10.879 1.00 0.00 C ATOM 461 CD1 ILE A 30 49.499 4.035 -9.985 1.00 0.00 C ATOM 0 H ILE A 30 50.572 7.266 -8.236 1.00 0.00 H new ATOM 0 HA ILE A 30 49.218 8.654 -10.502 1.00 0.00 H new ATOM 0 HB ILE A 30 48.851 6.292 -11.165 1.00 0.00 H new ATOM 0 HG12 ILE A 30 50.231 5.494 -8.566 1.00 0.00 H new ATOM 0 HG13 ILE A 30 48.489 5.497 -8.753 1.00 0.00 H new ATOM 0 HG21 ILE A 30 51.238 5.585 -11.311 1.00 0.00 H new ATOM 0 HG22 ILE A 30 51.062 7.325 -11.643 1.00 0.00 H new ATOM 0 HG23 ILE A 30 51.661 6.778 -10.059 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.417 3.246 -9.237 1.00 0.00 H new ATOM 0 HD12 ILE A 30 48.680 3.944 -10.699 1.00 0.00 H new ATOM 0 HD13 ILE A 30 50.450 3.941 -10.509 1.00 0.00 H new ATOM 473 N GLY A 31 47.592 7.476 -7.940 1.00 0.00 N ATOM 474 CA GLY A 31 46.232 7.471 -7.319 1.00 0.00 C ATOM 475 C GLY A 31 45.610 6.075 -7.405 1.00 0.00 C ATOM 476 O GLY A 31 44.907 5.649 -6.508 1.00 0.00 O ATOM 0 H GLY A 31 48.345 7.155 -7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 31 46.300 7.782 -6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 31 45.592 8.193 -7.826 1.00 0.00 H new ATOM 480 N LYS A 32 45.853 5.365 -8.477 1.00 0.00 N ATOM 481 CA LYS A 32 45.262 3.996 -8.622 1.00 0.00 C ATOM 482 C LYS A 32 45.837 3.052 -7.563 1.00 0.00 C ATOM 483 O LYS A 32 47.029 3.024 -7.325 1.00 0.00 O ATOM 484 CB LYS A 32 45.654 3.531 -10.025 1.00 0.00 C ATOM 485 CG LYS A 32 44.799 4.261 -11.062 1.00 0.00 C ATOM 486 CD LYS A 32 43.429 3.586 -11.161 1.00 0.00 C ATOM 487 CE LYS A 32 42.604 4.260 -12.260 1.00 0.00 C ATOM 488 NZ LYS A 32 41.189 3.927 -11.936 1.00 0.00 N ATOM 0 H LYS A 32 46.434 5.671 -9.258 1.00 0.00 H new ATOM 0 HA LYS A 32 44.181 4.003 -8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 32 46.711 3.730 -10.204 1.00 0.00 H new ATOM 0 HB3 LYS A 32 45.513 2.454 -10.115 1.00 0.00 H new ATOM 0 HG2 LYS A 32 44.681 5.307 -10.780 1.00 0.00 H new ATOM 0 HG3 LYS A 32 45.294 4.246 -12.033 1.00 0.00 H new ATOM 0 HD2 LYS A 32 43.550 2.525 -11.381 1.00 0.00 H new ATOM 0 HD3 LYS A 32 42.908 3.656 -10.206 1.00 0.00 H new ATOM 0 HE2 LYS A 32 42.764 5.338 -12.269 1.00 0.00 H new ATOM 0 HE3 LYS A 32 42.881 3.888 -13.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 40.560 4.355 -12.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 41.065 2.894 -11.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 40.952 4.299 -10.994 1.00 0.00 H new ATOM 502 N CYS A 33 44.992 2.275 -6.931 1.00 0.00 N ATOM 503 CA CYS A 33 45.480 1.323 -5.884 1.00 0.00 C ATOM 504 C CYS A 33 46.252 0.173 -6.537 1.00 0.00 C ATOM 505 O CYS A 33 45.686 -0.646 -7.237 1.00 0.00 O ATOM 506 CB CYS A 33 44.216 0.798 -5.196 1.00 0.00 C ATOM 507 SG CYS A 33 43.423 2.143 -4.282 1.00 0.00 S ATOM 0 H CYS A 33 43.985 2.259 -7.095 1.00 0.00 H new ATOM 0 HA CYS A 33 46.157 1.802 -5.176 1.00 0.00 H new ATOM 0 HB2 CYS A 33 43.527 0.392 -5.937 1.00 0.00 H new ATOM 0 HB3 CYS A 33 44.470 -0.017 -4.518 1.00 0.00 H new ATOM 512 N ARG A 34 47.540 0.111 -6.313 1.00 0.00 N ATOM 513 CA ARG A 34 48.361 -0.982 -6.918 1.00 0.00 C ATOM 514 C ARG A 34 48.405 -2.201 -5.967 1.00 0.00 C ATOM 515 O ARG A 34 48.945 -2.091 -4.884 1.00 0.00 O ATOM 516 CB ARG A 34 49.760 -0.378 -7.073 1.00 0.00 C ATOM 517 CG ARG A 34 49.990 0.031 -8.533 1.00 0.00 C ATOM 518 CD ARG A 34 50.833 -1.033 -9.242 1.00 0.00 C ATOM 519 NE ARG A 34 50.574 -0.826 -10.694 1.00 0.00 N ATOM 520 CZ ARG A 34 49.895 -1.715 -11.368 1.00 0.00 C ATOM 521 NH1 ARG A 34 50.467 -2.829 -11.738 1.00 0.00 N ATOM 522 NH2 ARG A 34 48.647 -1.488 -11.674 1.00 0.00 N ATOM 0 H ARG A 34 48.060 0.772 -5.736 1.00 0.00 H new ATOM 0 HA ARG A 34 47.955 -1.331 -7.868 1.00 0.00 H new ATOM 0 HB2 ARG A 34 49.866 0.490 -6.422 1.00 0.00 H new ATOM 0 HB3 ARG A 34 50.515 -1.102 -6.765 1.00 0.00 H new ATOM 0 HG2 ARG A 34 49.034 0.149 -9.042 1.00 0.00 H new ATOM 0 HG3 ARG A 34 50.495 0.996 -8.575 1.00 0.00 H new ATOM 0 HD2 ARG A 34 51.892 -0.917 -9.010 1.00 0.00 H new ATOM 0 HD3 ARG A 34 50.546 -2.037 -8.929 1.00 0.00 H new ATOM 0 HE ARG A 34 50.927 0.009 -11.162 1.00 0.00 H new ATOM 0 HH11 ARG A 34 51.443 -3.004 -11.501 1.00 0.00 H new ATOM 0 HH12 ARG A 34 49.937 -3.524 -12.264 1.00 0.00 H new ATOM 0 HH21 ARG A 34 48.202 -0.616 -11.387 1.00 0.00 H new ATOM 0 HH22 ARG A 34 48.117 -2.182 -12.200 1.00 0.00 H new ATOM 536 N PRO A 35 47.839 -3.336 -6.373 1.00 0.00 N ATOM 537 CA PRO A 35 47.853 -4.531 -5.490 1.00 0.00 C ATOM 538 C PRO A 35 49.288 -4.973 -5.178 1.00 0.00 C ATOM 539 O PRO A 35 50.119 -5.083 -6.060 1.00 0.00 O ATOM 540 CB PRO A 35 47.119 -5.585 -6.328 1.00 0.00 C ATOM 541 CG PRO A 35 46.707 -4.956 -7.671 1.00 0.00 C ATOM 542 CD PRO A 35 47.170 -3.495 -7.695 1.00 0.00 C ATOM 0 HA PRO A 35 47.389 -4.354 -4.520 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.764 -6.447 -6.498 1.00 0.00 H new ATOM 0 HB3 PRO A 35 46.239 -5.945 -5.795 1.00 0.00 H new ATOM 0 HG2 PRO A 35 47.154 -5.507 -8.499 1.00 0.00 H new ATOM 0 HG3 PRO A 35 45.626 -5.011 -7.798 1.00 0.00 H new ATOM 0 HD2 PRO A 35 47.855 -3.302 -8.520 1.00 0.00 H new ATOM 0 HD3 PRO A 35 46.332 -2.807 -7.809 1.00 0.00 H new ATOM 550 N PHE A 36 49.575 -5.237 -3.928 1.00 0.00 N ATOM 551 CA PHE A 36 50.947 -5.685 -3.542 1.00 0.00 C ATOM 552 C PHE A 36 50.851 -6.940 -2.662 1.00 0.00 C ATOM 553 O PHE A 36 49.774 -7.331 -2.249 1.00 0.00 O ATOM 554 CB PHE A 36 51.567 -4.500 -2.778 1.00 0.00 C ATOM 555 CG PHE A 36 50.861 -4.284 -1.454 1.00 0.00 C ATOM 556 CD1 PHE A 36 49.623 -3.635 -1.415 1.00 0.00 C ATOM 557 CD2 PHE A 36 51.450 -4.738 -0.268 1.00 0.00 C ATOM 558 CE1 PHE A 36 48.973 -3.439 -0.190 1.00 0.00 C ATOM 559 CE2 PHE A 36 50.802 -4.543 0.957 1.00 0.00 C ATOM 560 CZ PHE A 36 49.562 -3.893 0.996 1.00 0.00 C ATOM 0 H PHE A 36 48.914 -5.161 -3.155 1.00 0.00 H new ATOM 0 HA PHE A 36 51.561 -5.952 -4.402 1.00 0.00 H new ATOM 0 HB2 PHE A 36 52.626 -4.688 -2.604 1.00 0.00 H new ATOM 0 HB3 PHE A 36 51.499 -3.596 -3.383 1.00 0.00 H new ATOM 0 HD1 PHE A 36 49.168 -3.285 -2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 36 52.406 -5.240 -0.298 1.00 0.00 H new ATOM 0 HE1 PHE A 36 48.017 -2.937 -0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 36 51.258 -4.893 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 36 49.061 -3.742 1.941 1.00 0.00 H new ATOM 570 N LYS A 37 51.962 -7.569 -2.371 1.00 0.00 N ATOM 571 CA LYS A 37 51.924 -8.794 -1.519 1.00 0.00 C ATOM 572 C LYS A 37 52.057 -8.418 -0.040 1.00 0.00 C ATOM 573 O LYS A 37 53.094 -7.975 0.414 1.00 0.00 O ATOM 574 CB LYS A 37 53.104 -9.646 -1.985 1.00 0.00 C ATOM 575 CG LYS A 37 52.616 -10.632 -3.050 1.00 0.00 C ATOM 576 CD LYS A 37 53.769 -11.541 -3.480 1.00 0.00 C ATOM 577 CE LYS A 37 53.202 -12.825 -4.087 1.00 0.00 C ATOM 578 NZ LYS A 37 54.246 -13.295 -5.039 1.00 0.00 N ATOM 0 H LYS A 37 52.890 -7.287 -2.686 1.00 0.00 H new ATOM 0 HA LYS A 37 50.983 -9.335 -1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 37 53.890 -9.010 -2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 37 53.535 -10.185 -1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 37 51.796 -11.231 -2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 37 52.228 -10.089 -3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 37 54.399 -11.029 -4.207 1.00 0.00 H new ATOM 0 HD3 LYS A 37 54.399 -11.778 -2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 37 53.005 -13.572 -3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 37 52.258 -12.637 -4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 53.929 -14.174 -5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 54.408 -12.567 -5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 55.131 -13.473 -4.523 1.00 0.00 H new ATOM 592 N TYR A 38 50.997 -8.587 0.702 1.00 0.00 N ATOM 593 CA TYR A 38 51.009 -8.244 2.155 1.00 0.00 C ATOM 594 C TYR A 38 51.430 -9.460 2.989 1.00 0.00 C ATOM 595 O TYR A 38 51.122 -10.586 2.651 1.00 0.00 O ATOM 596 CB TYR A 38 49.555 -7.864 2.449 1.00 0.00 C ATOM 597 CG TYR A 38 49.397 -7.436 3.887 1.00 0.00 C ATOM 598 CD1 TYR A 38 50.108 -6.336 4.376 1.00 0.00 C ATOM 599 CD2 TYR A 38 48.519 -8.133 4.724 1.00 0.00 C ATOM 600 CE1 TYR A 38 49.943 -5.934 5.706 1.00 0.00 C ATOM 601 CE2 TYR A 38 48.352 -7.730 6.053 1.00 0.00 C ATOM 602 CZ TYR A 38 49.064 -6.630 6.546 1.00 0.00 C ATOM 603 OH TYR A 38 48.897 -6.230 7.857 1.00 0.00 O ATOM 0 H TYR A 38 50.109 -8.954 0.359 1.00 0.00 H new ATOM 0 HA TYR A 38 51.712 -7.447 2.399 1.00 0.00 H new ATOM 0 HB2 TYR A 38 49.244 -7.056 1.787 1.00 0.00 H new ATOM 0 HB3 TYR A 38 48.903 -8.713 2.243 1.00 0.00 H new ATOM 0 HD1 TYR A 38 50.784 -5.797 3.728 1.00 0.00 H new ATOM 0 HD2 TYR A 38 47.970 -8.982 4.344 1.00 0.00 H new ATOM 0 HE1 TYR A 38 50.494 -5.086 6.085 1.00 0.00 H new ATOM 0 HE2 TYR A 38 47.674 -8.268 6.699 1.00 0.00 H new ATOM 0 HH TYR A 38 48.329 -5.432 7.886 1.00 0.00 H new ATOM 613 N SER A 39 52.126 -9.240 4.077 1.00 0.00 N ATOM 614 CA SER A 39 52.554 -10.386 4.938 1.00 0.00 C ATOM 615 C SER A 39 51.591 -10.528 6.125 1.00 0.00 C ATOM 616 O SER A 39 51.018 -11.580 6.336 1.00 0.00 O ATOM 617 CB SER A 39 53.966 -10.045 5.405 1.00 0.00 C ATOM 618 OG SER A 39 54.837 -11.127 5.101 1.00 0.00 O ATOM 0 H SER A 39 52.416 -8.319 4.406 1.00 0.00 H new ATOM 0 HA SER A 39 52.541 -11.336 4.404 1.00 0.00 H new ATOM 0 HB2 SER A 39 54.313 -9.135 4.915 1.00 0.00 H new ATOM 0 HB3 SER A 39 53.969 -9.851 6.478 1.00 0.00 H new ATOM 0 HG SER A 39 55.745 -10.910 5.399 1.00 0.00 H new ATOM 624 N GLY A 40 51.385 -9.473 6.888 1.00 0.00 N ATOM 625 CA GLY A 40 50.427 -9.564 8.039 1.00 0.00 C ATOM 626 C GLY A 40 51.056 -9.067 9.346 1.00 0.00 C ATOM 627 O GLY A 40 50.504 -8.213 10.016 1.00 0.00 O ATOM 0 H GLY A 40 51.834 -8.565 6.764 1.00 0.00 H new ATOM 0 HA2 GLY A 40 49.537 -8.976 7.818 1.00 0.00 H new ATOM 0 HA3 GLY A 40 50.104 -10.598 8.162 1.00 0.00 H new ATOM 631 N CYS A 41 52.184 -9.611 9.731 1.00 0.00 N ATOM 632 CA CYS A 41 52.824 -9.180 11.016 1.00 0.00 C ATOM 633 C CYS A 41 53.852 -8.077 10.768 1.00 0.00 C ATOM 634 O CYS A 41 54.907 -8.319 10.218 1.00 0.00 O ATOM 635 CB CYS A 41 53.532 -10.419 11.576 1.00 0.00 C ATOM 636 SG CYS A 41 52.357 -11.779 11.798 1.00 0.00 S ATOM 0 H CYS A 41 52.689 -10.332 9.215 1.00 0.00 H new ATOM 0 HA CYS A 41 52.078 -8.786 11.706 1.00 0.00 H new ATOM 0 HB2 CYS A 41 54.329 -10.727 10.899 1.00 0.00 H new ATOM 0 HB3 CYS A 41 54.001 -10.177 12.530 1.00 0.00 H new ATOM 641 N GLY A 42 53.557 -6.872 11.184 1.00 0.00 N ATOM 642 CA GLY A 42 54.528 -5.754 10.987 1.00 0.00 C ATOM 643 C GLY A 42 53.976 -4.764 9.964 1.00 0.00 C ATOM 644 O GLY A 42 54.276 -3.586 10.012 1.00 0.00 O ATOM 0 H GLY A 42 52.687 -6.614 11.651 1.00 0.00 H new ATOM 0 HA2 GLY A 42 54.711 -5.248 11.935 1.00 0.00 H new ATOM 0 HA3 GLY A 42 55.486 -6.148 10.646 1.00 0.00 H new ATOM 648 N GLY A 43 53.175 -5.230 9.040 1.00 0.00 N ATOM 649 CA GLY A 43 52.602 -4.313 8.010 1.00 0.00 C ATOM 650 C GLY A 43 51.735 -3.253 8.694 1.00 0.00 C ATOM 651 O GLY A 43 51.438 -3.350 9.869 1.00 0.00 O ATOM 0 H GLY A 43 52.893 -6.207 8.955 1.00 0.00 H new ATOM 0 HA2 GLY A 43 53.404 -3.834 7.448 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.006 -4.880 7.295 1.00 0.00 H new ATOM 655 N ASN A 44 51.333 -2.242 7.966 1.00 0.00 N ATOM 656 CA ASN A 44 50.487 -1.171 8.572 1.00 0.00 C ATOM 657 C ASN A 44 49.034 -1.639 8.679 1.00 0.00 C ATOM 658 O ASN A 44 48.741 -2.812 8.547 1.00 0.00 O ATOM 659 CB ASN A 44 50.599 0.017 7.616 1.00 0.00 C ATOM 660 CG ASN A 44 50.613 1.318 8.422 1.00 0.00 C ATOM 661 OD1 ASN A 44 49.611 1.997 8.520 1.00 0.00 O ATOM 662 ND2 ASN A 44 51.717 1.694 9.008 1.00 0.00 N ATOM 0 H ASN A 44 51.554 -2.113 6.979 1.00 0.00 H new ATOM 0 HA ASN A 44 50.812 -0.913 9.580 1.00 0.00 H new ATOM 0 HB2 ASN A 44 51.509 -0.065 7.021 1.00 0.00 H new ATOM 0 HB3 ASN A 44 49.761 0.017 6.919 1.00 0.00 H new ATOM 0 HD21 ASN A 44 51.738 2.559 9.549 1.00 0.00 H new ATOM 0 HD22 ASN A 44 52.558 1.123 8.925 1.00 0.00 H new ATOM 669 N GLU A 45 48.125 -0.728 8.922 1.00 0.00 N ATOM 670 CA GLU A 45 46.687 -1.113 9.045 1.00 0.00 C ATOM 671 C GLU A 45 45.879 -0.628 7.831 1.00 0.00 C ATOM 672 O GLU A 45 44.662 -0.671 7.839 1.00 0.00 O ATOM 673 CB GLU A 45 46.204 -0.418 10.317 1.00 0.00 C ATOM 674 CG GLU A 45 46.954 -0.986 11.525 1.00 0.00 C ATOM 675 CD GLU A 45 47.134 0.112 12.574 1.00 0.00 C ATOM 676 OE1 GLU A 45 47.991 0.956 12.378 1.00 0.00 O ATOM 677 OE2 GLU A 45 46.411 0.089 13.556 1.00 0.00 O ATOM 0 H GLU A 45 48.318 0.267 9.041 1.00 0.00 H new ATOM 0 HA GLU A 45 46.560 -2.195 9.087 1.00 0.00 H new ATOM 0 HB2 GLU A 45 46.372 0.656 10.243 1.00 0.00 H new ATOM 0 HB3 GLU A 45 45.131 -0.565 10.440 1.00 0.00 H new ATOM 0 HG2 GLU A 45 46.400 -1.823 11.950 1.00 0.00 H new ATOM 0 HG3 GLU A 45 47.926 -1.371 11.215 1.00 0.00 H new ATOM 684 N ASN A 46 46.537 -0.175 6.790 1.00 0.00 N ATOM 685 CA ASN A 46 45.799 0.301 5.583 1.00 0.00 C ATOM 686 C ASN A 46 45.799 -0.792 4.515 1.00 0.00 C ATOM 687 O ASN A 46 46.034 -0.534 3.348 1.00 0.00 O ATOM 688 CB ASN A 46 46.575 1.526 5.098 1.00 0.00 C ATOM 689 CG ASN A 46 45.854 2.144 3.899 1.00 0.00 C ATOM 690 OD1 ASN A 46 44.674 2.430 3.966 1.00 0.00 O ATOM 691 ND2 ASN A 46 46.518 2.369 2.799 1.00 0.00 N ATOM 0 H ASN A 46 47.553 -0.115 6.727 1.00 0.00 H new ATOM 0 HA ASN A 46 44.758 0.543 5.798 1.00 0.00 H new ATOM 0 HB2 ASN A 46 46.660 2.258 5.902 1.00 0.00 H new ATOM 0 HB3 ASN A 46 47.589 1.240 4.819 1.00 0.00 H new ATOM 0 HD21 ASN A 46 46.047 2.785 1.995 1.00 0.00 H new ATOM 0 HD22 ASN A 46 47.508 2.129 2.743 1.00 0.00 H new ATOM 698 N ASN A 47 45.546 -2.011 4.908 1.00 0.00 N ATOM 699 CA ASN A 47 45.538 -3.136 3.927 1.00 0.00 C ATOM 700 C ASN A 47 44.139 -3.299 3.327 1.00 0.00 C ATOM 701 O ASN A 47 43.229 -3.783 3.973 1.00 0.00 O ATOM 702 CB ASN A 47 45.926 -4.375 4.737 1.00 0.00 C ATOM 703 CG ASN A 47 47.301 -4.164 5.384 1.00 0.00 C ATOM 704 OD1 ASN A 47 47.472 -4.403 6.562 1.00 0.00 O ATOM 705 ND2 ASN A 47 48.290 -3.717 4.658 1.00 0.00 N ATOM 0 H ASN A 47 45.343 -2.278 5.871 1.00 0.00 H new ATOM 0 HA ASN A 47 46.223 -2.966 3.096 1.00 0.00 H new ATOM 0 HB2 ASN A 47 45.178 -4.567 5.506 1.00 0.00 H new ATOM 0 HB3 ASN A 47 45.949 -5.251 4.089 1.00 0.00 H new ATOM 0 HD21 ASN A 47 49.206 -3.569 5.081 1.00 0.00 H new ATOM 0 HD22 ASN A 47 48.146 -3.516 3.668 1.00 0.00 H new ATOM 712 N PHE A 48 43.966 -2.896 2.093 1.00 0.00 N ATOM 713 CA PHE A 48 42.631 -3.022 1.438 1.00 0.00 C ATOM 714 C PHE A 48 42.507 -4.384 0.749 1.00 0.00 C ATOM 715 O PHE A 48 43.265 -4.705 -0.146 1.00 0.00 O ATOM 716 CB PHE A 48 42.587 -1.892 0.408 1.00 0.00 C ATOM 717 CG PHE A 48 42.441 -0.568 1.117 1.00 0.00 C ATOM 718 CD1 PHE A 48 41.348 -0.342 1.963 1.00 0.00 C ATOM 719 CD2 PHE A 48 43.399 0.436 0.930 1.00 0.00 C ATOM 720 CE1 PHE A 48 41.213 0.889 2.619 1.00 0.00 C ATOM 721 CE2 PHE A 48 43.264 1.665 1.585 1.00 0.00 C ATOM 722 CZ PHE A 48 42.171 1.891 2.430 1.00 0.00 C ATOM 0 H PHE A 48 44.695 -2.484 1.511 1.00 0.00 H new ATOM 0 HA PHE A 48 41.811 -2.953 2.153 1.00 0.00 H new ATOM 0 HB2 PHE A 48 43.497 -1.897 -0.191 1.00 0.00 H new ATOM 0 HB3 PHE A 48 41.753 -2.043 -0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 48 40.609 -1.116 2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 48 44.243 0.261 0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 48 40.370 1.064 3.270 1.00 0.00 H new ATOM 0 HE2 PHE A 48 44.003 2.439 1.439 1.00 0.00 H new ATOM 0 HZ PHE A 48 42.067 2.839 2.936 1.00 0.00 H new ATOM 732 N THR A 49 41.559 -5.184 1.166 1.00 0.00 N ATOM 733 CA THR A 49 41.383 -6.532 0.543 1.00 0.00 C ATOM 734 C THR A 49 40.877 -6.393 -0.900 1.00 0.00 C ATOM 735 O THR A 49 41.145 -7.230 -1.742 1.00 0.00 O ATOM 736 CB THR A 49 40.353 -7.257 1.425 1.00 0.00 C ATOM 737 OG1 THR A 49 40.197 -8.591 0.962 1.00 0.00 O ATOM 738 CG2 THR A 49 38.999 -6.537 1.374 1.00 0.00 C ATOM 0 H THR A 49 40.899 -4.962 1.911 1.00 0.00 H new ATOM 0 HA THR A 49 42.321 -7.085 0.489 1.00 0.00 H new ATOM 0 HB THR A 49 40.709 -7.259 2.455 1.00 0.00 H new ATOM 0 HG1 THR A 49 39.542 -9.057 1.523 1.00 0.00 H new ATOM 0 HG21 THR A 49 38.283 -7.064 2.004 1.00 0.00 H new ATOM 0 HG22 THR A 49 39.116 -5.515 1.735 1.00 0.00 H new ATOM 0 HG23 THR A 49 38.635 -6.519 0.347 1.00 0.00 H new ATOM 746 N SER A 50 40.147 -5.344 -1.185 1.00 0.00 N ATOM 747 CA SER A 50 39.618 -5.146 -2.567 1.00 0.00 C ATOM 748 C SER A 50 39.959 -3.741 -3.071 1.00 0.00 C ATOM 749 O SER A 50 40.633 -2.979 -2.401 1.00 0.00 O ATOM 750 CB SER A 50 38.104 -5.313 -2.440 1.00 0.00 C ATOM 751 OG SER A 50 37.611 -6.002 -3.581 1.00 0.00 O ATOM 0 H SER A 50 39.895 -4.615 -0.518 1.00 0.00 H new ATOM 0 HA SER A 50 40.050 -5.852 -3.277 1.00 0.00 H new ATOM 0 HB2 SER A 50 37.862 -5.868 -1.533 1.00 0.00 H new ATOM 0 HB3 SER A 50 37.625 -4.338 -2.354 1.00 0.00 H new ATOM 0 HG SER A 50 36.640 -6.113 -3.502 1.00 0.00 H new ATOM 757 N LYS A 51 39.496 -3.395 -4.246 1.00 0.00 N ATOM 758 CA LYS A 51 39.786 -2.039 -4.801 1.00 0.00 C ATOM 759 C LYS A 51 38.613 -1.093 -4.529 1.00 0.00 C ATOM 760 O LYS A 51 38.796 0.097 -4.358 1.00 0.00 O ATOM 761 CB LYS A 51 39.966 -2.251 -6.304 1.00 0.00 C ATOM 762 CG LYS A 51 40.913 -1.183 -6.854 1.00 0.00 C ATOM 763 CD LYS A 51 40.822 -1.154 -8.383 1.00 0.00 C ATOM 764 CE LYS A 51 42.153 -0.669 -8.975 1.00 0.00 C ATOM 765 NZ LYS A 51 41.809 0.542 -9.772 1.00 0.00 N ATOM 0 H LYS A 51 38.929 -3.995 -4.845 1.00 0.00 H new ATOM 0 HA LYS A 51 40.669 -1.590 -4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 51 40.369 -3.245 -6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 51 39.002 -2.194 -6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 51 40.653 -0.207 -6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 51 41.936 -1.396 -6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 51 40.586 -2.149 -8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 51 40.013 -0.494 -8.696 1.00 0.00 H new ATOM 0 HE2 LYS A 51 42.870 -0.432 -8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 51 42.608 -1.436 -9.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 42.671 0.928 -10.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 41.130 0.286 -10.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 41.385 1.259 -9.149 1.00 0.00 H new ATOM 779 N GLN A 52 37.412 -1.615 -4.484 1.00 0.00 N ATOM 780 CA GLN A 52 36.224 -0.745 -4.219 1.00 0.00 C ATOM 781 C GLN A 52 36.366 -0.071 -2.852 1.00 0.00 C ATOM 782 O GLN A 52 35.923 1.045 -2.651 1.00 0.00 O ATOM 783 CB GLN A 52 35.017 -1.688 -4.230 1.00 0.00 C ATOM 784 CG GLN A 52 33.757 -0.904 -4.597 1.00 0.00 C ATOM 785 CD GLN A 52 33.859 -0.421 -6.046 1.00 0.00 C ATOM 786 OE1 GLN A 52 34.014 -1.215 -6.954 1.00 0.00 O ATOM 787 NE2 GLN A 52 33.779 0.856 -6.303 1.00 0.00 N ATOM 0 H GLN A 52 37.203 -2.604 -4.619 1.00 0.00 H new ATOM 0 HA GLN A 52 36.121 0.047 -4.961 1.00 0.00 H new ATOM 0 HB2 GLN A 52 35.178 -2.493 -4.947 1.00 0.00 H new ATOM 0 HB3 GLN A 52 34.896 -2.152 -3.251 1.00 0.00 H new ATOM 0 HG2 GLN A 52 32.876 -1.533 -4.474 1.00 0.00 H new ATOM 0 HG3 GLN A 52 33.637 -0.053 -3.927 1.00 0.00 H new ATOM 0 HE21 GLN A 52 33.649 1.522 -5.542 1.00 0.00 H new ATOM 0 HE22 GLN A 52 33.846 1.188 -7.265 1.00 0.00 H new ATOM 796 N GLU A 53 36.991 -0.740 -1.916 1.00 0.00 N ATOM 797 CA GLU A 53 37.178 -0.144 -0.562 1.00 0.00 C ATOM 798 C GLU A 53 38.401 0.774 -0.559 1.00 0.00 C ATOM 799 O GLU A 53 38.432 1.775 0.129 1.00 0.00 O ATOM 800 CB GLU A 53 37.397 -1.333 0.373 1.00 0.00 C ATOM 801 CG GLU A 53 37.018 -0.933 1.801 1.00 0.00 C ATOM 802 CD GLU A 53 37.528 -1.992 2.779 1.00 0.00 C ATOM 803 OE1 GLU A 53 37.221 -3.155 2.574 1.00 0.00 O ATOM 804 OE2 GLU A 53 38.217 -1.623 3.715 1.00 0.00 O ATOM 0 H GLU A 53 37.380 -1.676 -2.033 1.00 0.00 H new ATOM 0 HA GLU A 53 36.324 0.459 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 53 36.794 -2.181 0.049 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.439 -1.651 0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 53 37.448 0.039 2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 53 35.936 -0.834 1.887 1.00 0.00 H new ATOM 811 N CYS A 54 39.407 0.440 -1.329 1.00 0.00 N ATOM 812 CA CYS A 54 40.638 1.294 -1.382 1.00 0.00 C ATOM 813 C CYS A 54 40.267 2.723 -1.791 1.00 0.00 C ATOM 814 O CYS A 54 40.711 3.688 -1.194 1.00 0.00 O ATOM 815 CB CYS A 54 41.528 0.649 -2.450 1.00 0.00 C ATOM 816 SG CYS A 54 43.170 1.409 -2.414 1.00 0.00 S ATOM 0 H CYS A 54 39.431 -0.388 -1.924 1.00 0.00 H new ATOM 0 HA CYS A 54 41.140 1.354 -0.416 1.00 0.00 H new ATOM 0 HB2 CYS A 54 41.609 -0.423 -2.271 1.00 0.00 H new ATOM 0 HB3 CYS A 54 41.080 0.775 -3.436 1.00 0.00 H new ATOM 821 N LEU A 55 39.449 2.855 -2.803 1.00 0.00 N ATOM 822 CA LEU A 55 39.032 4.211 -3.264 1.00 0.00 C ATOM 823 C LEU A 55 37.977 4.790 -2.315 1.00 0.00 C ATOM 824 O LEU A 55 38.041 5.944 -1.940 1.00 0.00 O ATOM 825 CB LEU A 55 38.444 3.993 -4.660 1.00 0.00 C ATOM 826 CG LEU A 55 39.565 3.616 -5.631 1.00 0.00 C ATOM 827 CD1 LEU A 55 38.961 3.208 -6.977 1.00 0.00 C ATOM 828 CD2 LEU A 55 40.490 4.818 -5.832 1.00 0.00 C ATOM 0 H LEU A 55 39.051 2.079 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 55 39.863 4.917 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 55 37.693 3.204 -4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 55 37.942 4.899 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 55 40.134 2.782 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 55 39.760 2.940 -7.668 1.00 0.00 H new ATOM 0 HD12 LEU A 55 38.301 2.352 -6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 55 38.391 4.041 -7.388 1.00 0.00 H new ATOM 0 HD21 LEU A 55 41.289 4.551 -6.524 1.00 0.00 H new ATOM 0 HD22 LEU A 55 39.920 5.652 -6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 55 40.921 5.109 -4.874 1.00 0.00 H new ATOM 840 N ARG A 56 37.011 3.997 -1.926 1.00 0.00 N ATOM 841 CA ARG A 56 35.947 4.505 -1.002 1.00 0.00 C ATOM 842 C ARG A 56 36.544 4.962 0.337 1.00 0.00 C ATOM 843 O ARG A 56 35.902 5.668 1.092 1.00 0.00 O ATOM 844 CB ARG A 56 35.003 3.322 -0.783 1.00 0.00 C ATOM 845 CG ARG A 56 33.788 3.786 0.024 1.00 0.00 C ATOM 846 CD ARG A 56 32.590 2.890 -0.292 1.00 0.00 C ATOM 847 NE ARG A 56 31.403 3.672 0.153 1.00 0.00 N ATOM 848 CZ ARG A 56 30.596 3.179 1.052 1.00 0.00 C ATOM 849 NH1 ARG A 56 29.740 2.251 0.719 1.00 0.00 N ATOM 850 NH2 ARG A 56 30.647 3.609 2.282 1.00 0.00 N ATOM 0 H ARG A 56 36.911 3.021 -2.207 1.00 0.00 H new ATOM 0 HA ARG A 56 35.436 5.370 -1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 56 34.683 2.915 -1.742 1.00 0.00 H new ATOM 0 HB3 ARG A 56 35.521 2.522 -0.254 1.00 0.00 H new ATOM 0 HG2 ARG A 56 34.011 3.749 1.090 1.00 0.00 H new ATOM 0 HG3 ARG A 56 33.553 4.823 -0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 56 32.537 2.661 -1.356 1.00 0.00 H new ATOM 0 HD3 ARG A 56 32.657 1.939 0.235 1.00 0.00 H new ATOM 0 HE ARG A 56 31.221 4.593 -0.245 1.00 0.00 H new ATOM 0 HH11 ARG A 56 29.703 1.913 -0.243 1.00 0.00 H new ATOM 0 HH12 ARG A 56 29.108 1.864 1.420 1.00 0.00 H new ATOM 0 HH21 ARG A 56 31.318 4.332 2.542 1.00 0.00 H new ATOM 0 HH22 ARG A 56 30.016 3.223 2.984 1.00 0.00 H new ATOM 864 N ALA A 57 37.755 4.561 0.645 1.00 0.00 N ATOM 865 CA ALA A 57 38.372 4.972 1.944 1.00 0.00 C ATOM 866 C ALA A 57 39.232 6.227 1.775 1.00 0.00 C ATOM 867 O ALA A 57 38.994 7.238 2.412 1.00 0.00 O ATOM 868 CB ALA A 57 39.244 3.788 2.365 1.00 0.00 C ATOM 0 H ALA A 57 38.340 3.969 0.055 1.00 0.00 H new ATOM 0 HA ALA A 57 37.612 5.214 2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 57 39.732 4.014 3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 57 38.622 2.901 2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 57 40.001 3.604 1.602 1.00 0.00 H new ATOM 874 N CYS A 58 40.240 6.169 0.938 1.00 0.00 N ATOM 875 CA CYS A 58 41.125 7.359 0.752 1.00 0.00 C ATOM 876 C CYS A 58 40.508 8.358 -0.228 1.00 0.00 C ATOM 877 O CYS A 58 40.543 9.553 0.005 1.00 0.00 O ATOM 878 CB CYS A 58 42.440 6.802 0.208 1.00 0.00 C ATOM 879 SG CYS A 58 43.554 6.449 1.584 1.00 0.00 S ATOM 0 H CYS A 58 40.486 5.352 0.379 1.00 0.00 H new ATOM 0 HA CYS A 58 41.270 7.902 1.686 1.00 0.00 H new ATOM 0 HB2 CYS A 58 42.254 5.894 -0.366 1.00 0.00 H new ATOM 0 HB3 CYS A 58 42.899 7.520 -0.471 1.00 0.00 H new ATOM 884 N LYS A 59 39.943 7.895 -1.314 1.00 0.00 N ATOM 885 CA LYS A 59 39.323 8.843 -2.286 1.00 0.00 C ATOM 886 C LYS A 59 37.926 9.237 -1.799 1.00 0.00 C ATOM 887 O LYS A 59 37.530 10.381 -1.886 1.00 0.00 O ATOM 888 CB LYS A 59 39.243 8.093 -3.614 1.00 0.00 C ATOM 889 CG LYS A 59 39.013 9.102 -4.741 1.00 0.00 C ATOM 890 CD LYS A 59 38.751 8.365 -6.054 1.00 0.00 C ATOM 891 CE LYS A 59 38.415 9.380 -7.156 1.00 0.00 C ATOM 892 NZ LYS A 59 39.402 9.121 -8.240 1.00 0.00 N ATOM 0 H LYS A 59 39.885 6.909 -1.568 1.00 0.00 H new ATOM 0 HA LYS A 59 39.903 9.760 -2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 59 40.164 7.537 -3.789 1.00 0.00 H new ATOM 0 HB3 LYS A 59 38.431 7.366 -3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 59 38.166 9.744 -4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 59 39.884 9.749 -4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 59 39.628 7.783 -6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 59 37.928 7.662 -5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 59 37.394 9.249 -7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 59 38.495 10.403 -6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 39.233 9.779 -9.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 40.365 9.260 -7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 39.298 8.143 -8.577 1.00 0.00 H new ATOM 906 N LYS A 60 37.182 8.293 -1.271 1.00 0.00 N ATOM 907 CA LYS A 60 35.805 8.592 -0.752 1.00 0.00 C ATOM 908 C LYS A 60 34.965 9.322 -1.807 1.00 0.00 C ATOM 909 O LYS A 60 35.060 10.525 -1.967 1.00 0.00 O ATOM 910 CB LYS A 60 36.024 9.482 0.480 1.00 0.00 C ATOM 911 CG LYS A 60 35.275 8.897 1.687 1.00 0.00 C ATOM 912 CD LYS A 60 34.513 10.008 2.413 1.00 0.00 C ATOM 913 CE LYS A 60 34.469 9.706 3.913 1.00 0.00 C ATOM 914 NZ LYS A 60 33.928 10.947 4.535 1.00 0.00 N ATOM 0 H LYS A 60 37.471 7.319 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 60 35.260 7.681 -0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 60 37.089 9.555 0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 60 35.671 10.493 0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 60 34.581 8.124 1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 60 35.980 8.422 2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 60 34.998 10.969 2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 60 33.500 10.086 2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 60 33.832 8.847 4.125 1.00 0.00 H new ATOM 0 HE3 LYS A 60 35.461 9.470 4.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 33.867 10.821 5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 34.559 11.746 4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 32.980 11.142 4.153 1.00 0.00 H new